Reaction mass of sodium octane-1-sulfonate and disodium octane-1,2-disulfonate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018-02-06 - 2018-03-14

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study without detailed documentation

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Qualifier:

equivalent or similar to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Deviations:

no

Qualifier:

equivalent or similar to guideline

Guideline:

EU Method A.8 (Partition Coefficient - Shake Flask Method)

Deviations:

no

GLP compliance:

no

Type of method:

flask method

Partition coefficient type:

octanol-water

Analytical method:

not specified

Key result

Type:

log Pow

Partition coefficient:

1.53

Temp.:

20 °C

pH:

7

Details on results:

The weight of the test substance, the volume of each phase employed in each test vessel and the total calculated amount of test substance present in each phase after equilibration are presented in Table. The concentrations of n-octanol and water were calculated based on the density measurements, where the density of water at 20 oC is 1.00 g/mL while, the density of n-octanol at the same conditions is 0.824 g/mL. The partition coefficients were calculated in reference to these numbers and presented in Table.

Table: Partition Coefficients Results

Funnel #	Water [mL]	Octanol [mL]	Phase	V.F. [mL]	w [g]	ρ [g/mL]	Co/Cw	lg Pow
1	75	25	Water	20	19.8852	0.994	0.028	1.56
					19.8565	0.993	0.035	1.46
					19.7550	0.988	0.062	1.21
			n-Octanol		16.6240	0.831	19.3	1.29
2	50	50	Water	25	24.7552	0.990	0.049	1.31
				10	9.9287	0.993	0.035	1.46
			n-Octanol	20	16.5422	0.827	45.8	1.66
					16.5024	0.825	128.7	2.11
3	25	75	Water		19.8706	0.994	0.031	1.50
			n-Octanol		16.5986	0.830	23.6	1.37
					16.5751	0.829	29.7	1.47
					16.5116	0.826	91.0	1.96

w: Weight of each sample collected from different phases of separation (i.e. water-rich phase or octanol-rich phase)

V.F.: Volume of the volumetric flasks where the samples were collected.

ρ: Density of the collected samples based on the volumes of the volumetric flasks and the measured weight of the liquid samples.

Co, Cw: Concentrations of n-octanol and water by weight respectively in each separated phase.

Pow: Partition coefficient = Co/Cw

Conclusions:

Partitions coefficients is lg Pow = 1.53

Executive summary:

Partition coefficient of the test-sample (Test material is used as aqueous solution for this test, because only the aqueous solution of the test material is manufactured and marketed.) was determined with the shake-flask method (based on OECD guideline 107 and EU method A.8) at a temerature of 20 °C. Partitions coefficients is lg Pow = 1.53

Description of key information

Partition coefficient of the test-sample (Test material is used as aqueous solution for this test, because only the aqueous solution of the test material is manufactured and marketed.) was determined with the shake-flask method (based on OECD guideline 107 and EU method A.8) at a temerature of 20 °C. Partitions coefficients is lg Pow = 1.53

Key value for chemical safety assessment

Log Kow (Log Pow):

1.53

at the temperature of:

20 °C